Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKTQYFFLFPKIDQKKNGLVFALLKRAKILNEQLGISPTIITTEYDRSLAENYWSLIATNLAPPSIGYLNLYADFQ----GTHLKLANKKIHDPAIEMFNSNILKTIIPFTYNQRFHDKNNKNYLYEIRQNDSITLRYVNTFKKGVKTGRIIY-DSYGYLSCIQVINPENQMIITETYYHTEGYPVIIKNYQLNEKNKNIVSNIFLFNKQGVINEVFETESQLIQYWFLKISQLYENDLMYILIDRAIHFYEPLREIKQENMRFIGTIHATHLNGHDIQNSTINRHYRSYFKYSNELDALVILTERQKQHIQQRFGMEEKLFVIPHIY-----------EKTIDHVNFSNRDPMFCLTIARYDKAKNLDSLIRIFKKVVEVIPNAYLNIYGFGSEHNFLQSQIDEHQLNNHIKLMGYNENTDALYNKASLFLFSSRSEGFGMAVLEALCHGCPVVSYDIDYGPSDMIKHDENGYLVTFQDEESFAQKVVSLLKDEHKRLKLSENAYA-CIQLTDQKQFALKWQELFQAIQ 4WAD Chain:A ((10-498)) -----FMMVHELDVNKGGMTSSMFNRSKEFYDA-DIPADIVTFDYKGNYDEIIKALKKQGKMDRRTKMYNVFEYFKQISNNKHFK-SNKLLYKHISERLKNTI--EIEESKGISRYFDITTGTYIAYIRKSKS--EKVIDFFKDNKRIERFSFIDNKVHMK--ETFNVDNK-VCYQVFYDEKGYPYISRN--INANNGAVGKTYVLVNKKE-----FKNNLALCVYY---LEKLIKDSKDSIMICDGPGSFPKMFNTNHKNAQKYGVIHVNHHENFD-DTGAFKKSEKYIIENANKINGVIVLTEAQRLDILNQFDVEN-IFTISNFVKIHNAPKHFQTEKIVGH-------------ISRMVPTKRIDLLIEVAELVVKKDNAVKFHIYGEGSVKDKIAKMIEDKNLERNVFLKGYTTTPQKCLEDFKLVVSTSQYEGQGLSMIEAMISKRPVVAFDIKYGPSDFIEDNKNGYLIENHNINDMADKILQLVNNDVLAAEFGSKARENIIEKYSTESILEKWLNLFNS--

General information: TITO was launched using: RESULT: Template: 4WAD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2340 62168 26.57 131.71 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 26.57 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_4WAD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4WAD-query.scw PDB file : Tito_Scwrl_4WAD.pdb: